%chk=000210303.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210303

0 1
S 7.453838 0.858895 -1.028443
S 8.116097 0.816115 0.918986
O -5.061843 0.610610 0.159829
O 8.325581 -0.839906 1.052841
O 9.421506 1.381046 0.991700
O 7.052856 1.166173 1.798458
N 3.540395 -0.102003 -0.440392
C -0.207315 0.636590 -0.078698
C -1.448405 -0.265695 -0.114138
C 1.079916 -0.183317 -0.227581
C -2.732378 0.556285 0.035093
C 2.318281 0.727084 -0.196765
C -3.966163 -0.343190 -0.004544
C 4.794034 0.707764 -0.322151
C 5.910441 -0.108294 -0.970737
C -6.349046 0.127245 0.169316
C -6.712659 -1.217874 0.032796
C -7.311623 1.146763 0.335457
C -8.074929 -1.541685 0.064378
C -8.655238 0.792192 0.362564
C -9.043103 -0.550653 0.227505
H -0.269540 1.392276 -0.886553
H -0.185276 1.209248 0.869211
H -1.385950 -1.022028 0.692804
H -1.470258 -0.835053 -1.064378
H 1.141456 -0.943281 0.574778
H 1.064554 -0.752352 -1.179909
H -2.806529 1.320991 -0.765135
H -2.724762 1.131527 0.983625
H 2.357750 1.290283 0.760913
H 2.252670 1.482758 -1.011637
H -4.090423 -0.859021 -0.971123
H -3.999114 -1.063894 0.829287
H 3.571856 -0.876499 0.233313
H 5.048143 0.969210 0.734002
H 4.657603 1.672931 -0.861448
H 5.655293 -0.355295 -2.026442
H 6.074887 -1.078816 -0.461189
H -5.974334 -1.999918 -0.094718
H -6.985729 2.178320 0.437788
H -8.376494 -2.583864 -0.040450
H -9.415200 1.563217 0.489813
H -10.096879 -0.813637 0.250486
H 9.179536 -1.154949 1.394089


%chk=000210303-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210303

0 1
S 7.465822 0.630524 -1.243752
S 8.598052 0.085562 0.902519
O -5.279981 0.749525 0.036765
O 9.915279 -1.055864 0.252908
O 9.362883 1.312987 1.630948
O 7.543992 -0.802263 1.761494
N 3.506571 0.147019 -0.164572
C -0.298126 0.845901 -0.069257
C -1.553660 -0.053766 -0.024666
C 1.018799 0.038575 -0.090869
C -2.866702 0.761581 -0.011500
C 2.265729 0.942326 -0.153169
C -4.104340 -0.137773 0.031330
C 4.778279 0.846497 -0.369579
C 5.850396 -0.183950 -0.778192
C -6.553100 0.156585 0.081886
C -6.786320 -1.241290 0.121212
C -7.643429 1.063054 0.086451
C -8.117416 -1.719626 0.165566
C -8.962017 0.570355 0.130650
C -9.209286 -0.824840 0.170685
H -0.347130 1.494936 -0.967987
H -0.304094 1.525425 0.807810
H -1.507433 -0.701407 0.875779
H -1.545424 -0.734463 -0.901286
H 1.070570 -0.599346 0.817054
H 1.031495 -0.645503 -0.961467
H -2.923408 1.403230 -0.911690
H -2.885927 1.436503 0.865593
H 2.240482 1.666666 0.698092
H 2.241182 1.547182 -1.081566
H -4.142036 -0.804003 -0.856619
H -4.106032 -0.767979 0.946011
H 3.541042 -0.580980 0.560033
H 5.137823 1.411655 0.521750
H 4.637301 1.584233 -1.182710
H 5.525169 -0.794646 -1.639979
H 6.070882 -0.871687 0.065951
H -5.956887 -1.954531 0.117759
H -7.433061 2.136662 0.055372
H -8.294967 -2.800789 0.196095
H -9.800067 1.276410 0.133985
H -10.235867 -1.204177 0.205099
H 10.728462 -0.908210 0.822666


